| Identification | Back Directory | [Name]
Hydroxymethyl-7-Aminocephalosporanic acid | [CAS]
15690-38-7 | [Synonyms]
DACA
HACA
7-HACA
7-ADACA
D-7-ACA
SN-22995
2,6/2,7-ADA
7-ACA-D-7ACA
D-7-ACA 7-HACA
Deacetyl 7-ACA
Einecs 239-787-2
7-ACA Impurity D
7-AMino-3-(hydrox
Hydroxymethyl-7-ACA
Cefazedone Impurity 18
Cefazedone Impurity 11
Ceftriaxone Impurity 22
Cephalosporin impurity 1
Cephalosporin Impurity A
Ceftriaxone 7-ADCA Impurity
7-AMINO-3-(HYDROXYMETHYL)-3-CE
Cefazedone Related Impurity 11
7-ACA Impurity 1（Deacetyl 7-ACA）
7-Aminodeacetylcephalosporanic acid
Deacetyl-7-aMinocephalosporanic Acid
Hydroxymethyl-7-Aminocephalosporanic acid
N-[2-(Dimethylamino)ethyl]acridine-4-carboxamide
7-(Phenylacetylamino)deacetylcephalosporanic acid
7-Amino-3-(hydroxymethyl)-cephem-4-carboxylic acid
3-HydroxyMethyl-7-aMinoceph-3-eM-4-carboxylic Acid
Hydroxymethyl-7-Aminocephalosporanic acid USP/EP/BP
7β-Amino-3-(hydroxymethyl)cepham-3-ene-4-carboxylic acid
6R,7R)-7-AMino-3-hydroxyMethylceph-3-eM-4-carboxylic Acid
Cephalosporin iMpurity (7-AMino-deacetylcephalosporanic Acid)
Cephalosporin impurity 1 (7-Amino-deacetylcephalosporanic Acid)
Intermediate of cefoselis Sulfate (7-Amino-3-(hydroxymethyl)-3-cephem-4-carboxylic acid )
(6R,7R)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R-trans)-7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-aMino-3-(hydroxyMethyl)-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(hydroxymethyl)-8-oxo-, (6R-trans)-
(2S)-N-[(2S,4R)-4-acetamido-1-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-3-(4-hydroxyphenyl)-2-(methylamino)-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]-[(2S)-2-[[(2R)-2-amino-1-oxo-3-(3-pyridiny | [EINECS(EC#)]
239-787-2 | [Molecular Formula]
C8H10N2O4S | [MDL Number]
MFCD09751258 | [MOL File]
15690-38-7.mol | [Molecular Weight]
230.24 |
| Chemical Properties | Back Directory | [Melting point ]
105-107°C | [Boiling point ]
617.9±55.0 °C(Predicted) | [density ]
1.74 | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
2.68±0.50(Predicted) | [color ]
White to Beige | [InChI]
InChI=1S/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)/t4-,7-/m1/s1 | [InChIKey]
BQIMPGFMMOZASS-CLZZGJSISA-N | [SMILES]
N12[C@@]([H])([C@H](N)C1=O)SCC(CO)=C2C(O)=O |
| Hazard Information | Back Directory | [Chemical Properties]
Beige Solid | [Uses]
Intermediate in the semi-synthetic cephalosporins synthesis. Found in Acremonium chrysogenum. | [Synthesis]
General procedure for the synthesis of (6R,7R)-7-amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid from 7-aminocephalosporanic acid (7-ACA): 27.2 g (0.1 mol) of 7-ACA were accurately weighed and placed in a reaction flask, to which 50 mL of methanol and 50 mL of water were added as solvents. 3.0 g of tetra-n-butyl ammonium chloride was added while stirring at a temperature of -5 to 5 °C. Subsequently, 2 mol/L sodium hydroxide solution was added slowly dropwise. After the dropwise addition was completed, the reaction temperature was maintained and stirring was continued for 0.5 to 1 hour. Upon completion of the reaction, the pH of the reaction solution was adjusted to neutral with 30% hydrochloric acid, at which point a solid precipitated. The solid product was collected by diafiltration and washed with anhydrous ethanol. Eventually, 20.7 g of dry white solid product was obtained. The product was analyzed by high performance liquid chromatography (HPLC) and the purity of the product was 97.35% (area normalization method) and the content of lactone impurities was 0.33%. | [References]
[1] Patent: CN105131017, 2017, B. Location in patent: Paragraph 0041-0042
[2] Synthetic Communications, 2003, vol. 33, # 14, p. 2475 - 2482
[3] Patent: CN106083894, 2016, A. Location in patent: Paragraph 0045; 0054; 0055; 0056; 0057
[4] Synthesis, 2012, vol. 2012, # 2, p. 207 - 214
[5] Farmaco, 2003, vol. 58, # 6, p. 409 - 418 |
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